Basic information
- Name:
2,6-Diaminopurine arabinoside
- CAS No.:
34079-68-0
- Molecular Structure:
- Formula:
- C10H14N6O4
- Molecular Weight:
- 282.26
- Synonyms:
- 9H-Purine,2,6-diamino-9-β-D-arabinofuranosyl-(8CI);2,6-Diamino-9-β-D-arabinofuranosylpurine;9-β-D-Arabinofuranosyl-2,6-diaminopurine;
- Density:
- 2.25 g/cm3
- Boiling Point:
- 798.5 °C at 760 mmHg
- Flash Point:
- 436.7 °C
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Specification
The 2, 6-Diaminopurine arabinoside, with the CAS registry number of 34079-68-0, is also known as 9H-Purine-2, 6-diamine, 9-β-D-arabinofuranosyl- and 2, 6-Diamino-9-β-D-arabinofuranosylpurine. This chemical's molecular formula is C10H14N6O4 and molecular weight is 282.26. What's more, its IUPAC name is (2R, 3S, 4S, 5R)-2-(2, 6-Diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol.
Physical properties about 2, 6-Diaminopurine arabinoside are: (1)ACD/LogP: -1.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.8; (8)ACD/KOC (pH 7.4): 6.1; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87 Å2; (13)Index of Refraction: 1.985; (14)Molar Refractivity: 61.87 cm3; (15)Molar Volume: 124.9 cm3; (16)Surface Tension: 127.6 dyne/cm; (17)Density: 2.25 g/cm3; (18)Flash Point: 436.7 °C; (19)Enthalpy of Vaporization: 121.77 kJ/mol; (20)Boiling Point: 798.5 °C at 760 mmHg; (21)Vapour Pressure: 6.73E-27 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(nc(nc1n(c2)[C@@H]3O[C@@H]([C@@H](O)[C@@H]3O)CO)N)N
(2) InChI: InChI=1/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6+,9-/m1/s1
(3) InChIKey: ZDTFMPXQUSBYRL-FJFJXFQQBB
